methyl-[[3-[1-(2-methylpropanoyl)piperidin-4-yl]oxyphenyl]methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[[3-[1-(2-methylpropanoyl)piperidin-4-yl]oxyphenyl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[[3-[[1-(2-methylpropanoyl)-4-piperidyl]oxy]phenyl]methyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[[3-[[1-(2-methyl-1-oxopropyl)-4-piperidinyl]oxy]phenyl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[[3-[1-(2-methylpropanoyl)piperidin-4-yl]oxyphenyl]methyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [3-[(1-isobutyryl-4-piperidyl)oxy]benzyl]-methyl-(3-thenyl)ammonium Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+](C)CC3=CSC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C22H30N2O2S/c1-17(2)22(25)24-10-7-20(8-11-24)26-21-6-4-5-18(13-21)14-23(3)15-19-9-12-27-16-19/h4-6,9,12-13,16-17,20H,7-8,10-11,14-15H2,1-3H3/p+1